SCHEMBL2286478

SCHEMBL2286478

CCOC(=O)C(N)Cc1c[nH]c2cccc(C#N)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
NR3C2 P08235 1/20 0.47
TACR1 P25103 2/20 0.47
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
PKM P14618 1/20 0.40
CTSC P53634 4/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2286482 1.00 SCN9A (0.48) SCN9ANR3C2TACR1MAPTKDM4E
SCHEMBL19897940 0.84 KMT2A (0.58) NR3C2MAPTKDM4EMEN1LMNA
SCHEMBL30688366 0.84 KMT2A (0.58) NR3C2MAPTKDM4EMEN1LMNA
SCHEMBL19897942 0.84 KMT2A (0.58) NR3C2MAPTKDM4EMEN1LMNA
SCHEMBL2287234 0.83 SCN9A (0.51) SCN9ANR3C2MAPTKDM4ELMNA
SCHEMBL7373170 0.82 NR3C2 (0.46) SCN9ANR3C2TACR1MAPTLMNA
SCHEMBL7373169 0.82 NR3C2 (0.46) SCN9ANR3C2TACR1MAPTLMNA
SCHEMBL9437539 0.81 PKM (0.55) SCN9ATACR1MAPTKDM4EMEN1
SCHEMBL2287243 0.79 SCN9A (0.54) SCN9ANR3C2TACR1MAPTLMNA
SCHEMBL2287241 0.79 SCN9A (0.54) SCN9ANR3C2TACR1MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201615-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-08-18 US disclosed
EP-2352373-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2011-08-10 EP disclosed
WO-2010051177-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110201615-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTI-DIABETIC AGENTS GPR119, SSTR3, SSTR2 SCN9A 1991/4885NR3C2 169/4885TACR1 192/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.